HuagongsheHuagongshe Chemistry Print Report · For research reference only
Isoxazole, 3-methyl-4-nitro-5-[2-(1-pyrrolidinyl)ethyl]-
![Isoxazole, 3-methyl-4-nitro-5-[2-(1-pyrrolidinyl)ethyl]- molecular structure](/img/chemical/12317618.png)
Identifiers & Physical Properties
| CAS No. | 61194-83-0 |
|---|---|
| Molecular formula | C10H15N3O3 |
| Average molar mass | 225.24 g/mol |
| Monoisotopic mass | 225.11134135 g/mol |
| SMILES | Cc1noc(CCN2CCCC2)c1[N+](=O)[O-] |
| InChIKey | XHRLMOQZPUZSAJ-UHFFFAOYSA-N |
| PubChem CID | 12317618 |
| DTXSID | DTXSID90487907 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 75.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 250 |